6HV

(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone

Created:	2016-04-12
Last modified:	2016-05-25

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1 entries where 6HV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	17

2D diagram of 6HV

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Chemical Component Summary
Name	(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
Systematic Name (OpenEye OEToolkits)	[4-methyl-3-(2-methylphenyl)phenyl]-(1,3-thiazol-2-yl)methanone
Formula	C₁₈ H₁₅ N O S
Molecular Weight	293.383
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C
SMILES	CACTVS	3.385	Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3
SMILES	OpenEye OEToolkits	2.0.4	Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3
Canonical SMILES	CACTVS	3.385	Cc1ccccc1c2cc(ccc2C)C(=O)c3sccn3
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1ccccc1c2cc(ccc2C)C(=O)c3nccs3
InChI	InChI	1.03	InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3
InChIKey	InChI	1.03	WEOQMVQEKRDUIM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	119057481
ChEMBL	CHEMBL3819446

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